Geometry & MOs

Info

ID:

308965

PubChem CID:

126533002

Reduced:

FON7H26C30 (1)

Stoich.:

ABC7D26E30 (1)

Weight, g/mol:

514.133571

ΔHf, kcal/mol:

93.97

Dipole, Da:

6.37

IP(EA), eV:

 -8.82(-2.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[3-fluoro-5-[(2E)-2-(5-pyrazin-2-yl-1,2-dihydropyrazolo[4,3-b]pyridin-3-ylidene)pyrrolo[3,2-c]pyridin-4-yl]phenyl]methyl]methanesulfonamide

Drug info:

PubChemData

Smile

CC(C)(C)CC(=O)NC1=CN=CC(=C1)C2=CC\3=C(NN/C3=C/4\C=C5C(=CN=CC5=N4)C6=CC=CC=C6F)N=C2

DOS

IR

Vibrations